Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    2.8431    0.6804   -0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229    0.2142    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    0.0028    1.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.3174    1.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.3856    0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -1.3208   -0.3631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470   -0.1337   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6569   -1.0988   -1.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5065    1.2585   -0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2074   -0.3548    0.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307    0.8144   -1.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658    0.9801   -1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536   -0.0370    0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4646    0.5844    2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2635   -1.0773    1.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4055   -0.7310   -2.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0865   -2.0455   -1.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600   -1.2910   -1.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4385    2.0160    0.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912    1.2795   -0.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9368    1.5271   -1.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1998   -0.6875    0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7618   -1.1000    1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019    0.5878    1.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers